All pull requests

Pull requests

• fix(utils): correctly round cube root in auto_grid_detection

  #183·Davis Rens (davrens101) opened Nov 9, 2026·

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  3

• Preserve nonperiodic coordinates in graph conversion

  #182·Davis Rens (davrens101) opened Nov 8, 2026·

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  2

• build(deps): bump the github-actions group with 6 updates

  dependenciesgithub_actions
  #181·dependabot[bot] opened Nov 3, 2026Bot·

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• fix: Stop MatterSimCalculator instances sharing args_dict

  #178·Nishant Sharma (Nishant1600) opened Oct 23, 2026·

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  1

  1

• Honor calculator dtype in GraphConverter.convert

  #174·shaneraphel opened Sep 17, 2026·

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  1

• feat: add workflow for Quasi-harmonic Approximation

  #118·Zhu Yu (ZeHeru) opened Jun 9, 2025·

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  2